SCHEMBL5636660

SCHEMBL5636660

CN(C)S(=O)(=O)NCCCC[C@H](NC(=O)O)C(=O)C(=O)NCc1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.63
CTSS P25774 2/20 0.63
TBXAS1 P24557 7/20 0.46
FES P07332 1/20 0.43
RET P07949 1/20 0.43
MARK3 P27448 1/20 0.43
TYK2 P29597 1/20 0.43
FLT4 P35916 1/20 0.43
SYK P43405 1/20 0.43
CLK2 P49760 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
NAMPT P43490 3/20 0.42
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
CTSV O60911 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5636688 1.00 CTSK (0.63) CTSKCTSSTBXAS1FESRET
SCHEMBL5637489 0.83 CTSS (0.48) CTSKCTSSTBXAS1FESRET
SCHEMBL5637527 0.83 CTSS (0.48) CTSKCTSSTBXAS1FESRET
SCHEMBL6602938 0.82 CTSK (0.73) CTSKCTSSKMT2APKMLMNA
SCHEMBL6602953 0.82 CTSK (0.73) CTSKCTSSKMT2APKMLMNA
SCHEMBL14260244 0.79 CTSK (1.00) CTSKCTSSCTSVCTSB
SCHEMBL6648989 0.77 PKM (0.49) CTSKCTSSTBXAS1FESRET
Hydrochloric Acid SCHEMBL4909885 0.77 PKM (0.48) CTSKCTSSTBXAS1FESRET
SCHEMBL4904781 0.74 CTSS (0.44) CTSKCTSSTBXAS1FESRET
SCHEMBL4904759 0.74 CTSS (0.44) CTSKCTSSTBXAS1FESRET

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7282512-B2 Cycloalkyl ketoamides derivatives useful as cathepsin K inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-10-16 US claimed
US-20050054819-A1 Cycloalkyl ketoamides derivatives useful as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-03-10 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050054819-A1 Cycloalkyl ketoamides derivatives useful as cathepsin k inhibitors CTSK, CTSS, CTSE CTSK 1/4885CTSS 2/4885TBXAS1 2096/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.